[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

C23H33NO5S — CID 46670601

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)NC3CCCCC3C)CCCC2)c1
InChIInChI=1S/C23H33NO5S/c1-16-10-11-18(3)20(14-16)30(27,28)23(12-6-7-13-23)22(26)29-15-21(25)24-19-9-5-4-8-17(19)2/h10-11,14,17,19H,4-9,12-13,15H2,1-3H3,(H,24,25)
InChIKeyJPGKIMKWPQBLSY-UHFFFAOYSA-N
MW435.59 g/mol
LogP3.63
Rot. Bonds6

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate (PubChem CID 46670601) has the molecular formula C23H33NO5S and a molecular weight of 435.59 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
PubChem CID46670601
Molecular FormulaC23H33NO5S
Molecular Weight435.59 g/mol
Exact Mass435.21
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)NC3CCCCC3C)CCCC2)c1
InChIInChI=1S/C23H33NO5S/c1-16-10-11-18(3)20(14-16)30(27,28)23(12-6-7-13-23)22(26)29-15-21(25)24-19-9-5-4-8-17(19)2/h10-11,14,17,19H,4-9,12-13,15H2,1-3H3,(H,24,25)
InChIKeyJPGKIMKWPQBLSY-UHFFFAOYSA-N
XLogP3.63
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate with MolForge

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 36753714
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 36753350
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 55473752
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 2562901
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602500
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 46660736
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 2520243
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
CID 55464674
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978309
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589310
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570406

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate (CID 46670601) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)NC3CCCCC3C)CCCC2)c1.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is JPGKIMKWPQBLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO5S/c1-16-10-11-18(3)20(14-16)30(27,28)23(12-6-7-13-23)22(26)29-15-21(25)24-19-9-5-4-8-17(19)2/h10-11,14,17,19H,4-9,12-13,15H2,1-3H3,(H,24,25).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 435.59 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 46670601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).